Standard binding free energies from computer simulations: What is the best strategy?

類似資料

• Efficient determination of protein-protein standard binding free energies from first principles
  著者:: Gumbart, James C., 等
  出版事項: (2013)
• Computations of Standard Binding Free Energies with Molecular Dynamics Simulations
  著者:: Deng, Yuqing, 等
  出版事項: (2009)
• Determination of Membrane-Insertion Free Energies by Molecular Dynamics Simulations
  著者:: Gumbart, James, 等
  出版事項: (2012)
• Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual Topology Free Energy Perturbation Approach in NAMD
  著者:: Jiang, Wei, 等
  出版事項: (2019)
• Calculation of absolute protein–ligand binding free energy from computer simulations
  著者:: Woo, Hyung-June, 等
  出版事項: (2005)